Publicacións nas que colabora con Carlos Estévez Varcálcel (16)

2014

  1. Theoretical design of molecular grippers for anion recognition based on subporphyrazines and subphthalocyanines

    Physical Chemistry Chemical Physics, Vol. 16, Núm. 13, pp. 6108-6117

2013

  1. A computational study of the protonation of simple amines in water clusters

    Physical Chemistry Chemical Physics, Vol. 15, Núm. 41, pp. 18204-18216

2011

  1. Anion-π aromatic neutral tweezers complexes: Are they stable in polar solvents?

    Journal of Physical Chemistry A, Vol. 115, Núm. 10, pp. 2016-2025

  2. Erratum: Ultrafast ring-opening/closing and deactivation channels for a model spiropyran-merocyanine system (Journal of Physical Chemistry A (2011) 115 (9128-9138) DOI: 10.1021/jp2062095)

    Journal of Physical Chemistry A

  3. Synthesis, spectral studies, crystal structures and TDDFT studies of the rhenium(I) complexes of 2,4-dihydroxy-N′-(4-hydroxybenzilidene) benzohydrazide

    Polyhedron, Vol. 30, Núm. 6, pp. 953-962

2010

  1. Enhancing the interactions between neutral molecular tweezers and anions

    Physical Chemistry Chemical Physics, Vol. 12, Núm. 1, pp. 164-169

2008

  1. Molecular tweezers as receptors for anions: An energetic and topological study

    Journal of Molecular Structure: THEOCHEM, Vol. 854, Núm. 1-3, pp. 1-9

2007

  1. Implantación del EEES en la licenciatura en química de la UVIGO

    Experiencias de implantación de metodologías ECTS en cursos piloto completos: II Jornadas Nacionales de Metodologías ECTS. Badajoz, 19, 20 y 21 de septiembre de 2007 (Servicio de Publicaciones)

  2. Structural study of methane hydrate

    Structural Chemistry, Vol. 18, Núm. 5, pp. 649-652

  3. Towards the design of neutral molecular tweezers for anion recognition

    Chemistry - A European Journal, Vol. 13, Núm. 17, pp. 4743-4749

2001

  1. A theoretical study of the S + C2H reaction: Potential energy surfaces and dynamics

    Journal of Physical Chemistry A, Vol. 105, Núm. 19, pp. 4716-4725

  2. A theoretical study of the low-lying electronic states of SC3

    Chemical Physics Letters, Vol. 343, Núm. 1-2, pp. 105-112

  3. Product energy distributions for the four-center HF elimination from 1,1-difluoroethylene. a direct dynamics study

    Chemical Physics Letters, Vol. 348, Núm. 1-2, pp. 81-88

2000

  1. A theoretical study of the P + + SH 2 reaction: Potential energy surfaces and reaction dynamics

    Journal of Physical Chemistry A, Vol. 104, Núm. 47, pp. 11095-11105

1993

  1. A semiempirical AM1 conformational study of 3'-substituted deoxythymidines

    Journal of Molecular Structure: THEOCHEM, Vol. 288, Núm. 3, pp. 207-214

1991

  1. Ab initio study of the molecular structure of linear furocoumarins and pyrrolocoumarins

    Journal of Molecular Structure: THEOCHEM, Vol. 231, Núm. C, pp. 163-168